4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(methanesulfonamido)benzoic acid Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-(methanesulfonamido)benzoic acid Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-27(25,26)20-16-11-13(18(23)24)5-6-17(16)22-9-7-21(8-10-22)15-4-2-3-14(19)12-15/h2-6,11-12,20H,7-10H2,1H3,(H,23,24)